#' Create IDBac SQLite database #' Should work for mzML, mzXML, mgf, and txt data input #' #' #' @param rawDataFilePath filepath of the data #' @param sampleID the sample ID to be read and added to the database #' @param pool database connection (checked out pool) #' @param acquisitionInfo acquisitionInfo (currently only used when converting from Bruker raw data) #' @param ... advanced arguments for MALDIquant, see [IDBacApp::processSmallMolSpectra()] and/or [IDBacApp::processProteinSpectra()] #' #' @return the peak list modifed by binning then subtractng the matrix sample, #' spectraProcessingFunction <- function(rawDataFilePath, sampleID, pool, acquisitionInfo, ...){ if (!length(sampleID) > 0) { stop("sampleID lenghth must be > 0 ") } sampleID <- trimws(sampleID, which = c("both")) # If sample ID doesn't exist, create it in table # TODO: userprompt with option to change ID createMetaSQL(sampleID = sampleID, pool = pool) # Create xml table ------------------------------------------------------- # Make connection to mzML file mzML_con <- mzR::openMSfile(rawDataFilePath, backend = "pwiz") XMLinfo <- createXMLSQL(rawDataFilePath = rawDataFilePath, pool = pool, mzML_con = mzML_con) createSpectraSQL(mzML_con = mzML_con, pool = pool, sampleID = sampleID, XMLinfo = XMLinfo, acquisitionInfo = acquisitionInfo, ...) }